SCHEMBL2033552

SCHEMBL2033552

CCC(CC)(c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(=O)NC)n2)c(Cl)c1)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 12/20 0.57
▸ ULK1 O75385 2/20 0.54
▸ LRRK2 Q5S007 4/20 0.50
▸ MAPK3 P27361 1/20 0.48
▸ JAK2 O60674 3/20 0.48
▸ KDR P35968 3/20 0.48
▸ PTK2B Q14289 3/20 0.48
▸ NTRK1 P04629 2/20 0.48
▸ TYK2 P29597 2/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ NTRK3 Q16288 2/20 0.48
▸ NTRK2 Q16620 2/20 0.48
▸ CDC7 O00311 2/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ HIPK2 Q9H2X6 2/20 0.47
▸ IRAK4 Q9NWZ3 2/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PRKACA P17612 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2031292 0.89 PTK2 (0.66) PTK2ULK1LRRK2JAK2KDR
SCHEMBL2030368 0.88 PTK2 (0.61) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2637616 0.85 PTK2 (0.57) PTK2ULK1LRRK2MAPK3JAK2
SCHEMBL2051759 0.83 PTK2 (0.64) PTK2ULK1LRRK2MAPK3JAK2
SCHEMBL2033915 0.82 PTK2 (0.57) PTK2LRRK2MAPK3JAK2KDR
SCHEMBL2033479 0.82 ALK (0.57) PTK2LRRK2MAPK3JAK2KDR
SCHEMBL2032881 0.82 PTK2 (0.62) PTK2ULK1LRRK2MAPK3JAK2
SCHEMBL2030403 0.82 PTK2 (0.62) PTK2ULK1LRRK2JAK2KDR
SCHEMBL2033546 0.81 PTK2 (0.67) PTK2ULK1LRRK2MAPK3JAK2
SCHEMBL2029362 0.81 PTK2 (0.56) PTK2LRRK2MAPK3JAK2KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS PTK2 2/4885ULK1 965/4885LRRK2 854/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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